Geometry & MOs

Info

ID:	377525
PubChem CID:	134223582
Reduced:	NC23H43 (1)
Stoich.:	AB23C43 (1)
Weight, g/mol:	515.199762
ΔH_f, kcal/mol:	-45.29
Dipole, Da:	1.74
IP(EA), eV:	-8.82(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1Z)-buta-1,3-dienyl]-3-methylindol-1-yl]-3-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine

Drug info:

PubChemData

Smile

CCC1C2C1[C@](/C=C(/CCCCCCCCC2)\C(C)NC)(C)CC

DOS

IR

Vibrations